dipropyl(pyrrolidin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 48223
• Molecular Formular: C11H26Cl2N2
• Molecular Mass: 257.24354
• Monoisotopic Mass: 256.1473042
• SMILES: N1C(CN(CCC)CCC)CCC1.Cl.Cl
• Canonical SMILES: CCCN(CC1CCCN1)CCC.Cl.Cl
• InChI: InChI=1S/C11H24N2.2ClH/c1-3-8-13(9-4-2)10-11-6-5-7-12-11;;/h11-12H,3-10H2,1-2H3;2*1H
• InChIKey: ZSKMZVPTZAHQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropyl(pyrrolidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: dipropyl(pyrrolidin-2-ylmethyl)amine dihydrochloride
• Synonyms: N-Propyl-N-(2-pyrrolidinylmethyl)-1-propanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561763
• PubChem SID: 162052986
• PubChem CID: 56831776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2354133
• LogD (pH = 7.4): -1.0875053
• Log P: 2.0499914
• Molar Refractivity: 58.4689 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false